BDBM50218732 2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][1,4]-diazepin-3-yl)-benzonitrile::CHEMBL242184

SMILES: COc1cc(ccc1C#N)-c1ccc2c(Nc3ccccc3NC2=O)c1

InChI Key: InChIKey=BRNHWLIJPBVKAP-UHFFFAOYSA-N

Data: 1 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 1 hit for monomerid = 50218732   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
Serine/threonine-protein kinase Chk1 (Homo sapiens (Human))	BDBM50218732 (2-methoxy-4-(11-oxo-10,11-dihydro-5H-dibenzo[b,e][...) Show SMILES COc1cc(ccc1C#N)-c1ccc2c(Nc3ccccc3NC2=O)c1 Show InChI InChI=1S/C21H15N3O2/c1-26-20-11-14(6-7-15(20)12-22)13-8-9-16-19(10-13)23-17-4-2-3-5-18(17)24-21(16)25/h2-11,23H,1H3,(H,24,25)	PDB MMDB Reactome pathway KEGG UniProtKB/SwissProt B.MOAD antibodypedia GoogleScholar AffyNet	CHEMBL PC cid PC sid UniChem Similars	Article PubMed	n/a	n/a	33	n/a	n/a	n/a	n/a	n/a	n/a
Abbott Laboratories Curated by ChEMBL					Assay Description Inhibition of human recombinant Chk1				J Med Chem 50: 4162-76 (2007) Article DOI: 10.1021/jm070105d BindingDB Entry DOI: 10.7270/Q22J6BKS
					More data for this Ligand-Target Pair				3D Structure (docked)